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(R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-2-(5-bromo-1H-indol-3-yl)-3,3,3-trifluoropropanoate

View entire compound with spectra: 1 MS (GC)

(R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-2-(5-bromo-1H-indol-3-yl)-3,3,3-trifluoropropanoate
SpectraBase Compound ID 3SrnYwBXXmo
InChI InChI=1S/C18H20BrF3N2O4/c1-5-27-14(25)17(18(20,21)22,24-15(26)28-16(2,3)4)12-9-23-13-7-6-10(19)8-11(12)13/h6-9,23H,5H2,1-4H3,(H,24,26)/t17-/m1/s1
InChIKey ZMGKGAMDDAVCQY-QGZVFWFLSA-N
Mol Weight 465.27 g/mol
Molecular Formula C18H20BrF3N2O4
Exact Mass 464.055855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWUDUidKF9O
Name (R)-Ethyl 2-[(tert-butoxycarbonyl)amino]-2-(5-bromo-1H-indol-3-yl)-3,3,3-trifluoropropanoate
Alternate Name(s) (R)-ethyl 2-(5-bromo-1H-indol-3-yl)-2-((tert-butoxycarbonyl)amino)-3,3,3-trifluoropropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20BrF3N2O4
InChI InChI=1S/C18H20BrF3N2O4/c1-5-27-14(25)17(18(20,21)22,24-15(26)28-16(2,3)4)12-9-23-13-7-6-10(19)8-11(12)13/h6-9,23H,5H2,1-4H3,(H,24,26)/t17-/m1/s1
InChIKey ZMGKGAMDDAVCQY-QGZVFWFLSA-N
Literature Reference DOI 10.1021/ol103093r
Molecular Weight 465.267 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](c1c2c(ccc(c2)Br)[nH]c1)(C(=O)OCC)C(F)(F)F
SPLASH splash10-0a4i-9022400000-b561869d7de5bf523550
Source of Spectrum A1-13-1044/SMS6-4g
Wiley ID 1752827